SCHEMBL740969

SCHEMBL740969

N#CC(F)C(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 4/20 0.45
CES1 P23141 4/20 0.45
CES2 O00748 3/20 0.45
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALPG P10696 1/20 0.45
MDM2 Q00987 1/20 0.42
ALDH1A1 P00352 3/20 0.41
USP2 O75604 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 3/20 0.41
DAO P14920 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
ALKBH5 Q6P6C2 1/20 0.39
PGR P06401 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29237750 1.00 TDP1 (0.47) TDP1L3MBTL1LMNACES1CES2
SCHEMBL25342452 0.80 CES2 (0.45) L3MBTL1LMNACES1CES2MDM2
SCHEMBL408412 0.78 TDP1 (0.50) TDP1L3MBTL1LMNACES1CES2
SCHEMBL23091851 0.78 TDP1 (0.50) TDP1L3MBTL1LMNACES1CES2
SCHEMBL7342834 0.77 LMNA (0.52) TDP1L3MBTL1LMNACES1CES2
SCHEMBL395491 0.77 MDM2 (0.48) TDP1L3MBTL1LMNACES1CES2
SCHEMBL740027 0.76 CES1 (0.45) TDP1L3MBTL1LMNACES1CES2
SCHEMBL740918 0.75 TDP1 (0.47) TDP1L3MBTL1LMNACES1CES2
SCHEMBL10741256 0.75 TDP1 (0.47) TDP1L3MBTL1LMNACES1CES2
SCHEMBL741168 0.75 PGR (0.47) TDP1L3MBTL1LMNACES1CES2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110526867-A A method of efficiently preparing blonanserin intermediate HUNAN XIANGZHONG PHARMACEUTICAL CO LTD 2019-12-03 CN claimed
CN-107056653-B Synthetic method of the blonanserin intermediate to fluorobenzoyl acetonitrile 丽珠医药集团股份有限公司 2019-07-09 CN claimed
CN-107056653-A Synthetic method of the blonanserin intermediate to fluorobenzoyl acetonitrile 丽珠医药集团股份有限公司 2017-08-18 CN claimed
CN-105272883-A Preparation method for high-purity 4-fluorobenzoylacetonitrile TIANJIN KELAI BORUI TECHNOLOGY CO LTD 2016-01-27 CN claimed
CN-118239862-A Chiral monofluorone carbonyl substituted nitrile compound and preparation method and application thereof 上海应用技术大学 2024-06-25 CN disclosed
EP-2970141-B1 HALOGENOPYRAZOLES AS INHIBITORS OF THROMBIN VERSEON CORP (US) 2020-02-26 EP disclosed
CN-110526867-A A method of efficiently preparing blonanserin intermediate HUNAN XIANGZHONG PHARMACEUTICAL CO LTD 2019-12-03 CN disclosed
CN-110526867-A A method of efficiently preparing blonanserin intermediate HUNAN XIANGZHONG PHARMACEUTICAL CO LTD 2019-12-03 CN disclosed
CN-107056653-B Synthetic method of the blonanserin intermediate to fluorobenzoyl acetonitrile 丽珠医药集团股份有限公司 2019-07-09 CN disclosed
CN-107056653-B Synthetic method of the blonanserin intermediate to fluorobenzoyl acetonitrile 丽珠医药集团股份有限公司 2019-07-09 CN disclosed
CN-107056653-B Synthetic method of the blonanserin intermediate to fluorobenzoyl acetonitrile 丽珠医药集团股份有限公司 2019-07-09 CN disclosed
US-20180186751-A1 HALOGENOPYRAZOLES AS INHIBITORS OF THROMBIN VERSEON INTERNATIONAL CORPORATION 2018-07-05 US disclosed
WO-2014146059-A1 HALOGENOPYRAZOLES AS INHIBITORS OF THROMBIN VERSEON, INC. (US) 2014-09-18 WO disclosed
CN-102762560-A Disubstituted heteroaryl-fused pyridines NOVARTIS AG 2012-10-31 CN disclosed
CN-102459280-A Thieno [2,3-b ] pyridine derivatives as inhibitors of viral replication UNIV LEUVEN KATH 2012-05-16 CN disclosed
EP-2430029-A1 THIENO [2, 3-B]PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS Katholieke Universiteit Leuven (BE) 2012-03-21 EP disclosed
WO-2010130842-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2010-11-18 WO disclosed
CN-1872859-A Compound of heterocyclic pyridine class WANG SONGFA (CN) 2006-12-06 CN disclosed
EP-0195396-A1 5-Fluorobenzonitrile derivatives and pharmacologically acceptable acid addition salts thereof for increasing the lean meat to fat ratio, and/or enhancing the growth rate of warm-blooded animals AMERICAN CYANAMID COMPANY (US) 1986-09-24 EP disclosed
EP-0016277-A1 2-Carbonyl-3-hydroxy-alkenonitriles, their use as anti-arthritic agents and processes for their preparation AMERICAN CYANAMID COMPANY (US) 1980-10-01 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180186751-A1 HALOGENOPYRAZOLES AS INHIBITORS OF THROMBIN F2, TFPI, SERPINC1 TDP1 356/4885L3MBTL1 1464/4885LMNA 1086/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.